5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide

C17H13FN2O2S2 — CID 37007491

IUPAC5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)s1
InChIInChI=1S/C17H13FN2O2S2/c1-11(21)14-6-7-15(24-14)16(22)19-17-20(8-9-23-17)10-12-4-2-3-5-13(12)18/h2-9H,10H2,1H3/b19-17-
InChIKeyLIIPWPXKMOMVRA-ZPHPHTNESA-N
MW360.44 g/mol
LogP3.74
Rot. Bonds4

About 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide

5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide (PubChem CID 37007491) has the molecular formula C17H13FN2O2S2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
PubChem CID37007491
Molecular FormulaC17H13FN2O2S2
Molecular Weight360.44 g/mol
Exact Mass360.04
IUPAC Name5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)s1
InChIInChI=1S/C17H13FN2O2S2/c1-11(21)14-6-7-15(24-14)16(22)19-17-20(8-9-23-17)10-12-4-2-3-5-13(12)18/h2-9H,10H2,1H3/b19-17-
InChIKeyLIIPWPXKMOMVRA-ZPHPHTNESA-N
XLogP3.74
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide (CID 37007491) is 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)/N=c2\sccn2Cc2ccccc2F)s1.
What is the InChIKey of 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
The InChIKey is LIIPWPXKMOMVRA-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H13FN2O2S2/c1-11(21)14-6-7-15(24-14)16(22)19-17-20(8-9-23-17)10-12-4-2-3-5-13(12)18/h2-9H,10H2,1H3/b19-17-.
What are the key properties of 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide?
5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]thiophene-2-carboxamide is sourced from PubChem (CID 37007491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).